BDBM31721 4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one::4-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one::4-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one::4-[2-(2-chloro-5-nitrophenyl)vinyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone::MLS000530560::SMR000135540::cid_5347285
SMILES: [O-][N+](=O)c1ccc(Cl)c(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)c1
InChI Key: InChIKey=MJQNHKBQLBCQNA-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.64E+4 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 9.99E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MS3R62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.85E+3 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human)) | BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T | |||||||||||
More data for this Ligand-Target Pair |